POTENTIAL OF INTERACTION BETWEEN THE LITHIUM CATION AND THE SULFO GROUP OF AN AROMATIC POLYAMIDE

A three-dimensional potential for the interaction between the lithium cation and the sulfo group of an aromatic polyamide including both the Lennard-Jones and Coulomb contributions was constructed. The Coulomb contribution was calculated using the semiempirical quantum-chemical M NDO method. The potentials accounting for the changes in the electron densities at the cation and the sulfo group and neglecting these chang es (the atom-atom approximation) and the corresponding energy profiles of the migration of the lithium cation in a perfectly dry membrane we re compared.